N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C13H24N2O2S — CID 114366587

IUPACN-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCOCc1nc(COC)c(CNC(C)C)s1
InChIInChI=1S/C13H24N2O2S/c1-5-6-17-9-13-15-11(8-16-4)12(18-13)7-14-10(2)3/h10,14H,5-9H2,1-4H3
InChIKeyJAJYTWDMYPBBPK-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.71
Rot. Bonds9

About N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366587) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366587
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCOCc1nc(COC)c(CNC(C)C)s1
InChIInChI=1S/C13H24N2O2S/c1-5-6-17-9-13-15-11(8-16-4)12(18-13)7-14-10(2)3/h10,14H,5-9H2,1-4H3
InChIKeyJAJYTWDMYPBBPK-UHFFFAOYSA-N
XLogP2.71
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150641
N-[[4-(methoxymethyl)-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366475
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841261
1-[2-(ethoxymethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114365994
N-[[4-(methoxymethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366552
N-[[4-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103476500
N-[[2-(methoxymethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368906
N-[[4-ethyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 104841779
N'-[4-(methoxymethyl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 107510420
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366562
N-[[2-(3,5-dichloro-2-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366495

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366587) is N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCOCc1nc(COC)c(CNC(C)C)s1.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JAJYTWDMYPBBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-5-6-17-9-13-15-11(8-16-4)12(18-13)7-14-10(2)3/h10,14H,5-9H2,1-4H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 272.41 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).